2-[2-methoxy-4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-[4-(4-nitrophenyl)piperazino]prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C22H22N4O5/c1-30-21-16-17(2-8-20(21)31-15-10-23)3-9-22(27)25-13-11-24(12-14-25)18-4-6-19(7-5-18)26(28)29/h2-9,16H,11-15H2,1H3/b9-3+